SCHEMBL13613694

SCHEMBL13613694

Cc1c(F)ccc2c1C(=O)N(Cc1ccccc1C#N)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
TACR1 P25103 2/20 0.39
CLPP Q16740 1/20 0.39
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2025276 0.86 DPP4 (0.39) DPP4TACR1BRD4SIRT2SIRT1
SCHEMBL13613683 0.79 PARP1 (0.52)
SCHEMBL13613689 0.79 PREP (0.38)
SCHEMBL2022307 0.75 SIRT1 (0.47) BRD4SIRT2SIRT1NOX4ALDH1A1
SCHEMBL13952380 0.75 P2RX7 (0.44) L3MBTL1ALDH1A1
SCHEMBL13613686 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2022596 0.69 PARP1 (0.59)
SCHEMBL4515148 0.68 CLPP (0.57) DPP4CLPPBRD4SIRT2SIRT1
SCHEMBL13628796 0.67 GRM2 (0.46) ALDH1A1
SCHEMBL13952122 0.67 P2RX7 (0.44) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 DPP4 2670/4885TACR1 132/4885CLPP 4832/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.